5Z5Y

Crystal structure of ConA-R4M

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-10-07
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9716
Spacegroup name	P 21 21 2
Unit cell lengths	61.600, 116.110, 58.690
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.000 - 1.890
R-factor	0.19077
Rwork	0.189
R-free	0.24387
RMSD bond length	0.017
RMSD bond angle	1.926
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0131)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.900	1.940
High resolution limit [Å]	1.890	1.890
Number of reflections	34408
<I/σ(I)>	23.8
Completeness [%]	99.7
Redundancy	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	300	20% polyethylene glycol 6000, 20 mM HEPES, 100 mM NaCl, 5 mM CaCl2, 5 mM MnCl2 pH 7.2